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CHEMDIV-ZINC04315931

 MMsINC code: MMs00933723
Type: Neutral
Formula: C17H11ClO6S
SMILES:   Clc1ccc(S(=O)(=O)C2=Cc3cc(ccc3OC2=O)C(OC)=O)cc1
InChI:   InChI=1/C17H11ClO6S/c1-23-16(19)10-2-7-14-11(8-10)9-15(17(20)24-14)25(21,22)13-5-3-12(18)4-6-13/h2-9H,1H3

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Potential Energy
Epot(MMFF94)=75.1432 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 378.788 g/mol  logS: -5.8876  SlogP: 2.8604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0705158  Sterimol/B1: 3.33779  Sterimol/B2: 4.26398  Sterimol/B3: 5.00744
  Sterimol/B4: 5.41705  Sterimol/L: 18.1944 
 
 Surface and Volume Properties
  Accessible surface: 570.725  Positive charged surface: 271.015  Negative charged surface: 299.71  Volume: 304.25
  Hydrophobic surface: 431.114  Hydrophilic surface: 139.611
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.